Details of the Drug

General Information of Drug (ID: DMFDK4N)

• Drug Name: 1',2',3',6'-Tetrahydro-[2,4']bipyridinyl
• Synonyms: 1',2',3',6'-Tetrahydro-[2,4']bipyridinyl; 50461-51-3; CHEMBL278934; 1',2',3',6'-tetrahydro-2,4'-bipyridine; 2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine; 2,4'-Bipyridine, 1',2',3',6'-tetrahydro-; SCHEMBL169400; CTK4J2646; DTXSID50569450; IVRPDZRVHKIBBG-UHFFFAOYSA-N; ZINC19811349; BDBM50026630; AKOS000205268

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 160.22
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H12N2
  IUPAC Name: 2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
  Canonical SMILES: C1CNCC=C1C2=CC=CC=N2
  InChI: InChI=1S/C10H12N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-4,6,11H,5,7-8H2
  InChIKey: IVRPDZRVHKIBBG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15166842
  CAS Number: 50461-51-3
  TTD ID: D08UDY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

References

• [1] Adrenoceptor and tetrabenazine antagonism activities of some pyridinyltetrahydropyridines. J Med Chem. 1984 Sep;27(9):1182-5.